OntologiesslmclassesCHEBI:50694   
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minocyclineImported
http://purl.obolibrary.org/obo/CHEBI_50694

A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.

Defined bychebi
Also appears inphipomicroprideefodron + 3
Exact Synonyms
(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Minocycline
Related Synonyms
(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
7-Dimethylamino-6-demethyl-6-deoxytetracycline
minociclina
minociclinum
minocycline
minomycin
class Information
charge

0

formula

C23H27N3O7

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1

inchikey

DYKFCLLONBREIL-KVUCHLLUSA-N

in_subset

3_STAR

mass

457.47650

monoisotopicmass

457.18490

smiles

[H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C

class Relations